Iron in PDB 1ith: Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution

The structure of Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution, PDB code: 1ith was solved by M.Hackert, P.Kolatkar, S.R.Ernst, C.M.Ogata, W.A.Hendrickson, E.A.Merritt, R.P.Phizackerley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	104.800, 54.900, 110.600, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / n/a

The binding sites of Iron atom in the Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution (pdb code 1ith). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution, PDB code: 1ith:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:16.0 occ:1.00 FE A:HEM143 0.0 16.0 1.0 C A:CYN142 1.8 18.9 1.0 ND A:HEM143 2.0 14.1 1.0 NC A:HEM143 2.0 12.5 1.0 NA A:HEM143 2.1 11.0 1.0 NB A:HEM143 2.1 10.4 1.0 NE2 A:HIS94 2.2 16.3 1.0 N A:CYN142 2.8 22.5 1.0 C4C A:HEM143 3.0 12.1 1.0 C1D A:HEM143 3.0 10.2 1.0 C1C A:HEM143 3.0 16.7 1.0 C4A A:HEM143 3.0 16.2 1.0 C4B A:HEM143 3.0 13.8 1.0 C1A A:HEM143 3.0 16.2 1.0 C4D A:HEM143 3.1 15.0 1.0 CE1 A:HIS94 3.1 14.3 1.0 C1B A:HEM143 3.1 11.3 1.0 CD2 A:HIS94 3.1 13.0 1.0 CHD A:HEM143 3.3 9.6 1.0 CHC A:HEM143 3.3 16.2 1.0 CHB A:HEM143 3.4 10.2 1.0 CHA A:HEM143 3.4 15.0 1.0 ND1 A:HIS94 4.2 16.0 1.0 C3C A:HEM143 4.2 15.3 1.0 CG A:HIS94 4.2 13.3 1.0 C2D A:HEM143 4.2 11.0 1.0 C3A A:HEM143 4.2 14.9 1.0 C2A A:HEM143 4.2 16.0 1.0 C3D A:HEM143 4.2 12.4 1.0 C3B A:HEM143 4.2 17.7 1.0 C2C A:HEM143 4.2 16.2 1.0 C2B A:HEM143 4.3 16.3 1.0 NE2 A:GLN64 4.7 21.7 1.0 CG2 A:VAL68 4.9 7.6 1.0

Iron binding site 2 out of 2 in the Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe143 b:19.7 occ:1.00 FE B:HEM143 0.0 19.7 1.0 C B:CYN142 1.8 23.8 1.0 NC B:HEM143 2.0 15.7 1.0 NA B:HEM143 2.1 17.6 1.0 NB B:HEM143 2.1 17.9 1.0 ND B:HEM143 2.1 18.3 1.0 NE2 B:HIS94 2.2 20.9 1.0 N B:CYN142 2.8 25.5 1.0 C1C B:HEM143 3.0 18.1 1.0 C4C B:HEM143 3.0 17.4 1.0 C4B B:HEM143 3.0 18.2 1.0 C1A B:HEM143 3.0 20.6 1.0 C1B B:HEM143 3.0 18.2 1.0 C1D B:HEM143 3.0 16.9 1.0 C4A B:HEM143 3.0 18.5 1.0 CE1 B:HIS94 3.1 22.9 1.0 C4D B:HEM143 3.1 16.8 1.0 CD2 B:HIS94 3.1 19.3 1.0 CHC B:HEM143 3.3 17.9 1.0 CHD B:HEM143 3.3 16.5 1.0 CHA B:HEM143 3.3 17.6 1.0 CHB B:HEM143 3.4 19.3 1.0 ND1 B:HIS94 4.2 23.4 1.0 C2B B:HEM143 4.2 19.8 1.0 C3C B:HEM143 4.2 19.1 1.0 C2C B:HEM143 4.2 17.8 1.0 C3B B:HEM143 4.2 21.6 1.0 C2A B:HEM143 4.2 17.3 1.0 C2D B:HEM143 4.2 16.3 1.0 CG B:HIS94 4.2 22.5 1.0 C3A B:HEM143 4.2 18.5 1.0 C3D B:HEM143 4.3 15.3 1.0 O B:HOH604 4.9 29.6 1.0 NE2 B:GLN64 5.0 22.3 1.0

P.R.Kolatkar, S.R.Ernst, M.L.Hackert, C.M.Ogata, W.A.Hendrickson, E.A.Merritt, R.P.Phizackerley. Structure Determination and Refinement of Homotetrameric Hemoglobin From Urechis Caupo at 2.5 A Resolution. Acta Crystallogr.,Sect.B V. 48 191 1992.
ISSN: ISSN 0108-7681
PubMed: 1515107
DOI: 10.1107/S0108768191012363